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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:NSC 56820(2-)
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Accession:CHEBI:86250 term browser browse the term
Definition:An arenesulfonate oxoanion that is a dianion resulting from the removal of a proton from all three sulfonic acid groups of NSC 56820 and the protonation of its imino nitrogen. The disodium salt is the biological stain C.I. Acid Blue 22, also known as water blue.
Synonyms:exact_synonym: 2-amino-3-methyl-5-({4-[(4-sulfonatophenyl)amino]phenyl}{4-[(4-sulfonatophenyl)iminio]cyclohexa-2,5-dien-1-ylidene}methyl)benzenesulfonate
 related_synonym: Formula=C32H25N3O9S3;   InChI=1S/C32H27N3O9S3/c1-20-18-23(19-30(32(20)33)47(42,43)44)31(21-2-6-24(7-3-21)34-26-10-14-28(15-11-26)45(36,37)38)22-4-8-25(9-5-22)35-27-12-16-29(17-13-27)46(39,40)41/h2-19,34H,33H2,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)/p-2/b31-22-,35-25+;   InChIKey=WXESCRGMRLUOGU-RIUVSAGESA-L;   SMILES=Cc1cc(cc(c1N)S([O-])(=O)=O)C(=C1C=CC(C=C1)=[NH+]c1ccc(cc1)S([O-])(=O)=O)c1ccc(Nc2ccc(cc2)S([O-])(=O)=O)cc1;   water blue (acid form)(2-)
 cyclic_relationship: is_conjugate_base_of CHEBI:86247


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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        ion 0
          organic ion 0
            organic anion 0
              organosulfonate oxoanion 0
                arenesulfonate oxoanion 0
                  NSC 56820(2-) 0
                    water blue + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      p-block molecular entity 0
                        chalcogen molecular entity 0
                          oxygen molecular entity 0
                            oxide 0
                              oxoanion 0
                                chalcogen oxoanion 0
                                  sulfur oxoanion 0
                                    sulfonate 0
                                      organosulfonate oxoanion 0
                                        arenesulfonate oxoanion 0
                                          NSC 56820(2-) 0
                                            water blue + 0
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